N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C8H12N2O2S2 — CID 103608167

IUPACN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCO
InChIInChI=1S/C8H12N2O2S2/c1-5-6(14-8(13)10-5)4-7(12)9-2-3-11/h11H,2-4H2,1H3,(H,9,12)(H,10,13)
InChIKeyMJOOCVDKRSHTHM-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.77
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103608167) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103608167
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCO
InChIInChI=1S/C8H12N2O2S2/c1-5-6(14-8(13)10-5)4-7(12)9-2-3-11/h11H,2-4H2,1H3,(H,9,12)(H,10,13)
InChIKeyMJOOCVDKRSHTHM-UHFFFAOYSA-N
XLogP0.77
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103608167) is N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is MJOOCVDKRSHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-5-6(14-8(13)10-5)4-7(12)9-2-3-11/h11H,2-4H2,1H3,(H,9,12)(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103608167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).